| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PJT0M8Y9MO |
| EPA CompTox | DTXSID60219232 |
Structure
| InChI Key | DVQCXAUFUOFSDW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9N1O1 |
| Molecular Weight | 99.07 |
| AlogP | 1.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 32.59 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 692-33-1 |
| NORMAN SUSDAT | |
| FDA SRS | PJT0M8Y9MO |
| PubChem | 69653 |
| ChemSpider | 62854.0 |
CONTENTS
